Acetic Acid → HCID 46195044, compound
Reaction equation
[BrH:37].[C:38]([OH:39])(=[O:40])[CH3:41].[CH3:12][O:13][C:14]([CH2:15][CH2:16][c:17]1[c:18](-[c:29]2[c:30](=[O:35])[nH:31][cH:32][cH:33][cH:34]2)[cH:19][c:20]([C:25]([CH3:26])([CH3:27])[CH3:28])[c:21]([O:23][CH3:24])[cH:22]1)=[O:36].[CH3:1][O:2][c:3]1[c:4]([B:5]([OH:6])[OH:7])[cH:8][cH:9][cH:10][n:11]1.[n:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1[O:48][c:49]1[cH:50][cH:51][cH:52][cH:53][n:54]1>>[O:13]=[C:14]([CH2:15][CH2:16][c:17]1[c:18](-[c:29]2[c:30](=[O:35])[nH:31][cH:32][cH:33][cH:34]2)[cH:19][c:20]([C:25]([CH3:26])([CH3:27])[CH3:28])[c:21]([O:23][CH3:24])[cH:22]1)[OH:36]Participants
6
Sources & evidence
- ORD record
- ord-868b1abdcc974811b0b2ecdbf23d1c08
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…